Selective dissolution computer simulations

In the case of alloy dissolution, where finther complexity arises from selective dissolution, computer simulations seem to be a promising approach [32]. 

K. Sieradzki, R. R. Corderman, and K. Shukla, Computer simulation of corrosion selective dissolution of binary alloys, Philosophical Magazine A, vol. 59, pp. 713-746, 1989. 

Actually, even the sophisticated studies combining electrochemistry and surface analysis seem unable to yield any further decisive information on the detailed mechanism of selective dissolution. Atomic arrangements in which dissolution of atoms A can proceed throughout a rough electrode structure enriched in B t) e have been recognized as amenable to percolation theory [193]. The same theory was also applied to the passivation of binary Fe-Cr alloys in which, as suggested in Ref 105, 106, passivation of the more soluble element, Fe, is enhanced by a coimected surface lattice of passive Cr atoms. The main power of percolation theory is to provide diagnostic criteria for computer simulations in terms of concentration thresholds. 

Computer Simulations of Selective Dissolution An extensive contribution was reported [32] addressing the problems raised by experimental dealloying thresholds p at variance with theoretical site percolation thresholds p. ... 

Computer simulations with a Monte Carlo algorithm of the selective dissolution of 2D square and 3D cubic lattices modeling binary alloys (A-B) are performed. 

The use of a percolation approach clarifies substantially the selective dissolution of single-phase binary alloys. Computer simulations support the existence of a tight relationship between dealloying thresholds and site percolation thresholds. However, a careful survey of the literature over the last 10 years leads to the striking constatation... 

---